NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
|
|
1873 |
1b3c   |
4279 | cing | recoord | 1-original | 2 | XPLOR/CNS | distance | NOE | simple |
!!tox1_noe.tbl !! LYS-1 assign (resid 1 and name HA )(resid 2 and name HN ) 3.0 1.2 0.5 assign (resid 1 and name HB1 )(resid 2 and name HN ) 4.0 2.2 1.0 assign (resid 1 and name HB2 )(resid 2 and name HN ) 4.0 2.2 1.0 assign (resid 1 and name HG1 )(resid 2 and name HN ) 4.0 2.2 1.0 assign (resid 1 and name HG2 )(resid 2 and name HN ) 4.0 2.2 1.0 assign (resid 1 and name HE# )(resid 50 and name HD1#) 4.0 4.3 3.1 assign (resid 1 and name HE# )(resid 50 and name HD2#) 4.0 4.3 3.1 !! ASP-2 t2g3 w/ uf=HB2 assign (resid 2 and name HN )(resid 2 and name HA ) 4.0 2.2 1.0 assign (resid 2 and name HN )(resid 2 and name HB1 ) 4.0 2.2 1.0 assign (resid 2 and name HN )(resid 2 and name HB2 ) 3.0 1.2 0.5 assign (resid 2 and name HA )(resid 2 and name HB1 ) 3.0 1.2 0.5 assign (resid 2 and name HA )(resid 2 and name HB2 ) 4.0 2.2 1.0 assign (resid 2 and name HA )(resid 3 and name HN ) 2.5 0.7 0.2 assign (resid 2 and name HN )(resid 3 and name HN ) 4.0 2.2 1.0 assign (resid 2 and name HB1 )(resid 3 and name HN ) 4.0 2.2 1.0 assign (resid 2 and name HB2 )(resid 3 and name HN ) 4.0 2.2 1.0 assign (resid 2 and name HB1 )(resid 46 and name HD# ) 4.0 3.2 2.5 assign (resid 2 and name HB2 )(resid 46 and name HD# ) 4.0 3.2 2.5 assign (resid 2 and name HB1 )(resid 46 and name HE# ) 3.0 3.2 2.5 assign (resid 2 and name HB2 )(resid 46 and name HE# ) 3.0 3.2 2.5 assign (resid 2 and name HA )(resid 46 and name HE# ) 4.0 4.2 3.0 assign (resid 2 and name HA )(resid 47 and name HN ) 4.0 2.2 1.0 assign (resid 2 and name HA )(resid 48 and name HA ) 3.0 1.2 0.5 assign (resid 2 and name HB2 )(resid 48 and name HA ) 4.0 2.2 1.0 assign (resid 2 and name HB1 )(resid 48 and name HA ) 4.0 2.2 1.0 assign (resid 2 and name HA )(resid 48 and name HB# ) 4.0 3.2 2.0 assign (resid 2 and name HA )(resid 48 and name HG# ) 4.0 3.2 2.0 assign (resid 2 and name HA )(resid 49 and name HN ) 3.0 1.2 0.5 assign (resid 2 and name HA )(resid 50 and name HN ) 4.0 2.2 1.0 assign (resid 2 and name HA )(resid 50 and name HD1#) 4.0 3.3 2.1 assign (resid 2 and name HA )(resid 50 and name HD2#) 4.0 3.3 2.1 !!Gly-3 assign (resid 3 and name HN )(resid 3 and name HA1 ) 3.0 1.2 0.5 assign (resid 3 and name HN )(resid 3 and name HA2 ) 3.0 1.2 0.5 assign (resid 3 and name HN )(resid 4 and name HN ) 4.0 2.2 1.0 assign (resid 3 and name HA1 )(resid 4 and name HN ) 2.5 0.7 0.2 assign (resid 3 and name HA2 )(resid 4 and name HN ) 2.5 0.7 0.2 assign (resid 3 and name HA1 )(resid 4 and name HD# ) 4.0 4.2 3.0 assign (resid 3 and name HA2 )(resid 4 and name HD# ) 4.0 4.2 3.0 assign (resid 3 and name HN )(resid 46 and name HD# ) 4.0 4.2 3.0 assign (resid 3 and name HN )(resid 46 and name HE# ) 4.0 4.2 3.0 assign (resid 3 and name HA1 )(resid 46 and name HE# ) 3.0 3.2 2.5 assign (resid 3 and name HA2 )(resid 46 and name HE# ) 3.0 3.2 2.5 assign (resid 3 and name HN )(resid 46 and name HA ) 4.0 2.2 1.0 assign (resid 3 and name HN )(resid 47 and name HN ) 3.0 1.2 0.5 assign (resid 3 and name HN )(resid 48 and name HA ) 4.0 2.2 1.0 assign (resid 3 and name HN )(resid 50 and name HD1#) 4.0 3.3 2.1 assign (resid 3 and name HN )(resid 50 and name HD2#) 4.0 3.3 2.1 assign (resid 3 and name HN )(resid 50 and name HG ) 4.0 2.2 1.0 !!Tyr-4 t2g3 uf=b1 assign (resid 4 and name HN )(resid 4 and name HA ) 4.0 2.2 1.0 assign (resid 4 and name HN )(resid 4 and name HB1 ) 4.0 2.2 1.0 assign (resid 4 and name HN )(resid 4 and name HB2 ) 3.0 1.2 0.5 assign (resid 4 and name HN )(resid 4 and name HD# ) 2.5 2.7 2.2 assign (resid 4 and name HN )(resid 4 and name HE# ) 4.0 4.2 3.0 assign (resid 4 and name HA )(resid 4 and name HB1 ) 3.0 1.2 0.5 assign (resid 4 and name HA )(resid 4 and name HB2 ) 4.0 2.2 1.0 assign (resid 4 and name HA )(resid 4 and name HD# ) 3.0 3.2 2.5 assign (resid 4 and name HB1 )(resid 4 and name HD# ) 3.0 3.2 2.5 assign (resid 4 and name HB2 )(resid 4 and name HD# ) 3.0 3.2 2.5 assign (resid 4 and name HA )(resid 4 and name HE# ) 4.0 4.2 3.0 assign (resid 4 and name HN )(resid 5 and name HN ) 4.0 2.2 1.0 assign (resid 4 and name HA )(resid 5 and name HN ) 3.0 1.2 0.5 assign (resid 4 and name HE# )(resid 41 and name HN ) 4.0 4.2 3.0 assign (resid 4 and name HD# )(resid 44 and name HA1 ) 4.0 4.2 3.0 assign (resid 4 and name HD# )(resid 44 and name HA2 ) 4.0 4.2 3.0 assign (resid 4 and name HE# )(resid 44 and name HA1 ) 4.0 4.2 3.0 assign (resid 4 and name HE# )(resid 44 and name HA2 ) 4.0 4.2 3.0 assign (resid 4 and name HE# )(resid 44 and name HN ) 4.0 4.2 3.0 assign (resid 4 and name HE# )(resid 45 and name HA ) 4.0 4.2 3.0 assign (resid 4 and name HD# )(resid 45 and name HN ) 4.0 4.2 3.0 assign (resid 4 and name HE# )(resid 45 and name HN ) 4.0 4.2 3.0 assign (resid 4 and name HD1 )(resid 46 and name HD2 ) 3.0 1.2 0.5 assign (resid 4 and name HD2 )(resid 46 and name HD2 ) 3.0 1.2 0.5 assign (resid 4 and name HE1 )(resid 46 and name HD2 ) 3.0 1.2 0.5 assign (resid 4 and name HE2 )(resid 46 and name HD2 ) 3.0 1.2 0.5 assign (resid 4 and name HD# )(resid 46 and name HE2 ) 4.0 4.2 3.0 assign (resid 4 and name HE# )(resid 46 and name HE2 ) 4.0 4.2 3.0 assign (resid 4 and name HD# )(resid 46 and name HA ) 4.0 4.2 3.0 assign (resid 4 and name HE# )(resid 46 and name HA ) 4.0 4.2 3.0 assign (resid 4 and name HE# )(resid 46 and name HB1 ) 4.0 4.2 3.0 assign (resid 4 and name HE# )(resid 46 and name HB2 ) 4.0 4.2 3.0 assign (resid 4 and name HA )(resid 46 and name HA ) 2.5 0.7 0.2 assign (resid 4 and name HA )(resid 46 and name HD# ) 4.0 4.2 3.0 assign (resid 4 and name HA )(resid 46 and name HE# ) 4.0 4.2 3.0 assign (resid 4 and name HN )(resid 46 and name HD# ) 4.0 4.2 3.0 assign (resid 4 and name HN )(resid 46 and name HE# ) 4.0 4.2 3.0 assign (resid 4 and name HA )(resid 47 and name HN ) 3.0 1.2 0.5 assign (resid 4 and name HN )(resid 47 and name HN ) 4.0 2.2 1.0 assign (resid 4 and name HN )(resid 56 and name HA ) 4.0 2.2 1.0 assign (resid 4 and name HN )(resid 56 and name HB ) 3.0 1.2 0.5 assign (resid 4 and name HN )(resid 56 and name HG2#) 3.0 2.1 1.4 assign (resid 4 and name HN )(resid 57 and name HB1 ) 4.0 2.2 1.0 assign (resid 4 and name HN )(resid 57 and name HB2 ) 4.0 2.2 1.0 assign (resid 4 and name HA )(resid 57 and name HB1 ) 4.0 2.2 1.0 assign (resid 4 and name HA )(resid 57 and name HB2 ) 4.0 2.2 1.0 assign (resid 4 and name HB1 )(resid 57 and name HN ) 4.0 2.2 1.0 assign (resid 4 and name HB2 )(resid 57 and name HN ) 4.0 2.2 1.0 assign (resid 4 and name HD# )(resid 57 and name HB1 ) 4.0 4.2 3.0 assign (resid 4 and name HD# )(resid 57 and name HB2 ) 4.0 4.2 3.0 !!Leu-5 assign (resid 5 and name HN )(resid 5 and name HA ) 4.0 2.2 1.0 assign (resid 5 and name HN )(resid 5 and name HB# ) 3.0 2.2 1.5 assign (resid 5 and name HN )(resid 5 and name HD1#) 4.0 3.3 2.1 assign (resid 5 and name HN )(resid 5 and name HD2#) 4.0 3.3 2.1 assign (resid 5 and name HA )(resid 5 and name HD1#) 4.0 3.3 2.1 assign (resid 5 and name HA )(resid 5 and name HD2#) 4.0 3.3 2.1 assign (resid 5 and name HA )(resid 5 and name HB# ) 2.5 1.7 1.2 assign (resid 5 and name HA )(resid 5 and name HG ) 4.0 2.8 1.6 assign (resid 5 and name HB# )(resid 5 and name HG ) 3.0 3.3 2.3 assign (resid 5 and name HA )(resid 6 and name HN ) 2.5 0.7 0.2 assign (resid 5 and name HN )(resid 6 and name HN ) 4.0 2.2 1.0 assign (resid 5 and name HB# )(resid 6 and name HN ) 2.5 1.7 1.2 assign (resid 5 and name HG )(resid 6 and name HN ) 4.0 2.2 1.0 assign (resid 5 and name HD1#)(resid 6 and name HN ) 4.0 3.3 2.1 assign (resid 5 and name HD2#)(resid 6 and name HN ) 4.0 3.3 2.1 assign (resid 5 and name HD1#)(resid 28 and name HA ) 4.0 3.3 2.1 assign (resid 5 and name HD2#)(resid 28 and name HA ) 4.0 3.3 2.1 assign (resid 5 and name HN )(resid 46 and name HA ) 4.0 2.2 1.0 assign (resid 5 and name HA )(resid 56 and name HA ) 4.0 2.2 1.0 assign (resid 5 and name HA )(resid 57 and name HN ) 4.0 2.2 1.0 !!Val-6, t, Jab=4.0 assign (resid 6 and name HN )(resid 6 and name HA ) 4.0 2.2 1.0 assign (resid 6 and name HN )(resid 6 and name HB ) 4.0 2.2 1.0 assign (resid 6 and name HN )(resid 6 and name HG1#) 4.0 3.3 2.1 assign (resid 6 and name HN )(resid 6 and name HG2#) 2.5 1.4 0.9 assign (resid 6 and name HA )(resid 6 and name HB ) 3.0 1.2 0.5 assign (resid 6 and name HA )(resid 6 and name HG1#) 2.5 1.4 0.9 assign (resid 6 and name HA )(resid 6 and name HG2#) 4.0 3.3 2.1 assign (resid 6 and name HN )(resid 7 and name HN ) 4.0 2.2 1.0 assign (resid 6 and name HA )(resid 7 and name HN ) 2.5 0.7 0.2 assign (resid 6 and name HB )(resid 7 and name HN ) 3.0 1.2 0.5 assign (resid 6 and name HG1#)(resid 7 and name HN ) 3.0 2.1 1.4 assign (resid 6 and name HG2#)(resid 7 and name HN ) 4.0 3.3 2.1 assign (resid 6 and name HG1#)(resid 10 and name HA1 ) 4.0 3.3 2.1 assign (resid 6 and name HG1#)(resid 10 and name HA2 ) 4.0 3.3 2.1 assign (resid 6 and name HA )(resid 12 and name HA ) 2.5 0.7 0.2 assign (resid 6 and name HA )(resid 13 and name HN ) 4.0 2.2 1.0 assign (resid 6 and name HN )(resid 56 and name HA ) 4.0 2.2 1.0 assign (resid 6 and name HG2#)(resid 56 and name HA ) 4.0 3.3 2.1 assign (resid 6 and name HG1#)(resid 57 and name HA ) 4.0 3.3 2.1 assign (resid 6 and name HG2#)(resid 57 and name HA ) 4.0 3.3 2.1 assign (resid 6 and name HB )(resid 57 and name HB1 ) 4.0 3.2 2.0 assign (resid 6 and name HB )(resid 57 and name HB2 ) 4.0 3.2 2.0 assign (resid 6 and name HA )(resid 57 and name HA ) 4.0 2.2 1.0 assign (resid 6 and name HA )(resid 57 and name HB1 ) 4.0 2.2 1.0 assign (resid 6 and name HA )(resid 57 and name HB2 ) 4.0 2.2 1.0 assign (resid 6 and name HG1#)(resid 57 and name HN ) 2.5 1.4 0.9 assign (resid 6 and name HG2#)(resid 57 and name HN ) 4.0 3.3 2.1 assign (resid 6 and name HG2#)(resid 57 and name HD1 ) 4.0 3.3 2.1 assign (resid 6 and name HG1#)(resid 57 and name HD1 ) 2.5 1.4 0.9 assign (resid 6 and name HB )(resid 57 and name HD1 ) 4.0 2.2 1.0 assign (resid 6 and name HA )(resid 57 and name HD1 ) 4.0 2.2 1.0 assign (resid 6 and name HB )(resid 57 and name HE1 ) 4.0 2.2 1.0 assign (resid 6 and name HG1#)(resid 57 and name HE1 ) 4.0 3.3 2.1 assign (resid 6 and name HG1#)(resid 58 and name HA ) 4.0 3.3 2.1 assign (resid 6 and name HG1#)(resid 59 and name HN ) 4.0 3.3 2.1 !!Glu-7 assign (resid 7 and name HN )(resid 7 and name HA ) 3.0 1.2 0.5 assign (resid 7 and name HN )(resid 7 and name HB# ) 3.0 2.2 1.5 assign (resid 7 and name HN )(resid 7 and name HG# ) 3.0 2.2 1.5 assign (resid 7 and name HA )(resid 7 and name HB# ) 3.0 2.2 1.5 assign (resid 7 and name HA )(resid 7 and name HG# ) 3.0 2.2 1.5 assign (resid 7 and name HN )(resid 8 and name HN ) 4.0 2.2 1.0 assign (resid 7 and name HA )(resid 8 and name HN ) 2.5 0.7 0.2 assign (resid 7 and name HB# )(resid 8 and name HN ) 4.0 3.2 2.0 assign (resid 7 and name HG# )(resid 8 and name HN ) 4.0 3.2 2.0 assign (resid 7 and name HA )(resid 9 and name HN ) 4.0 2.2 1.0 assign (resid 7 and name HB# )(resid 9 and name HN ) 4.0 3.2 2.0 assign (resid 7 and name HG# )(resid 9 and name HN ) 4.0 3.2 2.0 assign (resid 7 and name HN )(resid 10 and name HN ) 4.0 2.2 1.0 assign (resid 7 and name HN )(resid 11 and name HN ) 4.0 2.2 1.0 assign (resid 7 and name HG# )(resid 13 and name HA ) 4.0 3.2 2.0 assign (resid 7 and name HB# )(resid 13 and name HA ) 4.0 3.2 2.0 !!Lys-8 assign (resid 8 and name HN )(resid 8 and name HA ) 3.0 1.2 0.5 assign (resid 8 and name HN )(resid 8 and name HB# ) 3.0 2.2 1.5 assign (resid 8 and name HN )(resid 8 and name HG# ) 4.0 3.3 2.0 assign (resid 8 and name HA )(resid 8 and name HB# ) 3.0 2.2 1.5 assign (resid 8 and name HN )(resid 9 and name HN ) 3.0 1.2 0.5 assign (resid 8 and name HB# )(resid 9 and name HN ) 4.0 3.2 2.0 assign (resid 8 and name HG# )(resid 9 and name HN ) 4.0 3.2 2.0 !!Thr-9 assign (resid 9 and name HN )(resid 9 and name HA ) 3.0 1.2 0.5 assign (resid 9 and name HN )(resid 9 and name HG2#) 2.5 1.4 0.9 assign (resid 9 and name HN )(resid 9 and name HB ) 3.0 1.2 0.5 assign (resid 9 and name HA )(resid 10 and name HN ) 3.0 1.2 0.5 assign (resid 9 and name HA )(resid 10 and name HN ) 3.0 1.2 0.5 assign (resid 9 and name HB )(resid 10 and name HN ) 4.0 2.2 1.0 assign (resid 9 and name HG2#)(resid 10 and name HN ) 4.0 3.3 2.1 assign (resid 9 and name HN )(resid 11 and name HN ) 4.0 2.2 1.0 assign (resid 9 and name HB )(resid 11 and name HN ) 4.0 2.2 1.0 !!Gly-10 assign (resid 10 and name HN )(resid 10 and name HA1 ) 3.0 1.2 0.5 assign (resid 10 and name HN )(resid 10 and name HA2 ) 3.0 1.2 0.5 assign (resid 10 and name HN )(resid 11 and name HN ) 2.5 0.7 0.2 assign (resid 10 and name HA1 )(resid 11 and name HN ) 4.0 2.2 1.0 assign (resid 10 and name HA2 )(resid 11 and name HN ) 4.0 2.2 1.0 assign (resid 10 and name HA1 )(resid 59 and name HD# ) 4.0 4.8 3.6 assign (resid 10 and name HA2 )(resid 59 and name HD# ) 4.0 4.8 3.6 assign (resid 10 and name HA# )(resid 64 and name HN ) 4.0 3.2 2.0 !!08oct t2g3 w/ B1 downfield assign (resid 11 and name HN )(resid 11 and name HA ) 3.0 1.2 0.5 assign (resid 11 and name HN )(resid 11 and name HB1 ) 4.0 2.2 1.0 assign (resid 11 and name HN )(resid 11 and name HB2 ) 3.0 1.2 0.5 assign (resid 11 and name HA )(resid 11 and name HB1 ) 3.0 1.2 0.5 assign (resid 11 and name HA )(resid 11 and name HB2 ) 4.0 2.2 1.0 assign (resid 11 and name HN )(resid 12 and name HN ) 4.0 2.2 1.0 assign (resid 11 and name HA )(resid 12 and name HN ) 2.5 0.7 0.2 assign (resid 11 and name HB1 )(resid 12 and name HN ) 3.0 1.2 0.5 assign (resid 11 and name HB2 )(resid 12 and name HN ) 4.0 2.2 1.0 assign (resid 11 and name HA )(resid 57 and name HE1 ) 3.0 1.2 0.5 assign (resid 11 and name HA )(resid 57 and name HD1 ) 4.0 2.2 1.0 assign (resid 11 and name CB )(resid 64 and name SG ) 3.0 0.1 0.1 assign (resid 11 and name SG )(resid 64 and name SG ) 2.0 0.1 0.1 assign (resid 11 and name SG )(resid 64 and name CB ) 3.0 0.1 0.1 assign (resid 11 and name HA )(resid 64 and name HN ) 4.0 2.2 1.0 assign (resid 11 and name HA )(resid 64 and name HA ) 4.0 2.2 1.0 assign (resid 11 and name HN )(resid 64 and name HB2 ) 4.0 2.2 1.0 assign (resid 11 and name HA )(resid 64 and name HB1 ) 4.0 2.0 1.0 assign (resid 11 and name HA )(resid 64 and name HB2 ) 2.5 0.7 0.2 assign (resid 11 and name HB1 )(resid 64 and name HB2 ) 4.0 2.2 1.0 !!Lys-12 assign (resid 12 and name HN )(resid 13 and name HN ) 4.0 2.2 1.0 assign (resid 12 and name HN )(resid 12 and name HA ) 3.0 1.2 0.5 assign (resid 12 and name HN )(resid 12 and name HB1 ) 3.0 1.2 0.5 assign (resid 12 and name HN )(resid 12 and name HB2 ) 3.0 1.2 0.5 assign (resid 12 and name HN )(resid 12 and name HG1 ) 4.0 2.2 1.0 assign (resid 12 and name HN )(resid 12 and name HG2 ) 4.0 2.2 1.0 assign (resid 12 and name HN )(resid 12 and name HD1 ) 4.0 2.2 1.0 assign (resid 12 and name HN )(resid 12 and name HD2 ) 4.0 2.2 1.0 assign (resid 12 and name HA )(resid 12 and name HB1 ) 4.0 2.2 1.0 assign (resid 12 and name HA )(resid 12 and name HB2 ) 4.0 2.2 1.0 assign (resid 12 and name HA )(resid 13 and name HN ) 2.5 0.7 0.2 assign (resid 12 and name HB1 )(resid 13 and name HN ) 3.0 1.2 0.5 assign (resid 12 and name HB2 )(resid 13 and name HN ) 3.0 1.2 0.5 assign (resid 12 and name HG1 )(resid 13 and name HN ) 4.0 2.2 1.0 assign (resid 12 and name HG2 )(resid 13 and name HN ) 4.0 2.2 1.0 assign (resid 12 and name HN )(resid 57 and name HE1 ) 4.0 3.2 2.0 assign (resid 12 and name HN )(resid 64 and name HB1 ) 4.0 2.2 1.0 assign (resid 12 and name HN )(resid 64 and name HB2 ) 4.0 2.2 1.0 !!Lys-13 assign (resid 13 and name HN )(resid 13 and name HA ) 4.0 2.2 1.0 assign (resid 13 and name HN )(resid 13 and name HB1 ) 4.0 2.2 1.0 assign (resid 13 and name HN )(resid 13 and name HB2 ) 4.0 2.2 1.0 assign (resid 13 and name HN )(resid 13 and name HG# ) 4.0 3.0 1.8 assign (resid 13 and name HA )(resid 13 and name HB1 ) 3.0 1.2 0.5 assign (resid 13 and name HA )(resid 13 and name HB2 ) 3.0 1.2 0.5 assign (resid 13 and name HA )(resid 13 and name HG# ) 4.0 3.2 2.0 assign (resid 13 and name HN )(resid 14 and name HN ) 4.0 2.2 1.0 assign (resid 13 and name HA )(resid 14 and name HN ) 2.5 0.7 0.2 assign (resid 13 and name HB1 )(resid 14 and name HN ) 4.0 2.2 1.0 assign (resid 13 and name HB2 )(resid 14 and name HN ) 4.0 2.2 1.0 assign (resid 13 and name HG# )(resid 14 and name HN ) 4.0 3.2 2.0 !!Thr-14 assign (resid 14 and name HN )(resid 14 and name HA ) 3.0 1.2 0.5 assign (resid 14 and name HN )(resid 14 and name HB ) 2.5 0.7 0.2 assign (resid 14 and name HN )(resid 14 and name HG2#) 3.0 2.1 1.4 assign (resid 14 and name HA )(resid 14 and name HB ) 3.0 1.2 0.5 assign (resid 14 and name HA )(resid 14 and name HG2#) 3.0 2.2 1.5 assign (resid 14 and name HN )(resid 15 and name HN ) 4.0 2.2 1.0 assign (resid 14 and name HA )(resid 15 and name HN ) 2.5 0.7 0.2 assign (resid 14 and name HB )(resid 15 and name HN ) 4.0 2.2 1.0 assign (resid 14 and name HG2#)(resid 15 and name HN ) 2.5 1.4 0.9 assign (resid 14 and name HG2#)(resid 16 and name HD# ) 4.0 5.3 4.1 assign (resid 14 and name HG2#)(resid 16 and name HE# ) 3.0 4.1 3.4 assign (resid 14 and name HA )(resid 44 and name HA1 ) 3.0 1.2 0.5 assign (resid 14 and name HA )(resid 44 and name HA2 ) 3.0 1.2 0.5 !!Cys-15 assign (resid 15 and name HN )(resid 15 and name HA ) 4.0 2.2 1.0 assign (resid 15 and name HN )(resid 15 and name HB1 ) 3.0 1.2 0.5 assign (resid 15 and name HN )(resid 15 and name HB2 ) 4.0 2.2 1.0 assign (resid 15 and name HA )(resid 15 and name HB1 ) 3.0 1.2 0.5 assign (resid 15 and name HA )(resid 15 and name HB2 ) 3.0 1.2 0.5 assign (resid 15 and name HN )(resid 16 and name HN ) 4.0 2.2 1.0 assign (resid 15 and name HA )(resid 16 and name HN ) 2.5 0.7 0.2 assign (resid 15 and name HB1 )(resid 16 and name HN ) 4.0 2.2 1.0 assign (resid 15 and name HB2 )(resid 16 and name HN ) 3.0 1.2 0.5 assign (resid 15 and name HA )(resid 21 and name HD21) 4.0 2.2 1.0 assign (resid 15 and name HA )(resid 21 and name HD22) 4.0 2.2 1.0 assign (resid 15 and name HB1 )(resid 21 and name HD21) 4.0 2.2 1.0 assign (resid 15 and name HB1 )(resid 21 and name HD22) 4.0 2.2 1.0 assign (resid 15 and name HB2 )(resid 21 and name HD21) 4.0 2.2 1.0 assign (resid 15 and name HB2 )(resid 21 and name HD22) 4.0 2.2 1.0 assign (resid 15 and name HN )(resid 43 and name HA ) 4.0 2.2 1.0 assign (resid 15 and name HN )(resid 43 and name HB1 ) 4.0 2.2 1.0 assign (resid 15 and name HN )(resid 43 and name HB2 ) 4.0 2.2 1.0 assign (resid 15 and name CB )(resid 40 and name SG ) 3.0 0.1 0.1 assign (resid 15 and name SG )(resid 40 and name SG ) 2.0 0.1 0.1 assign (resid 15 and name SG )(resid 40 and name CB ) 3.0 0.1 0.1 !!Tyr16 (UF=B1) assign (resid 16 and name HN )(resid 16 and name HA ) 4.0 2.2 1.0 assign (resid 16 and name HN )(resid 16 and name HB1 ) 4.0 2.2 1.0 assign (resid 16 and name HN )(resid 16 and name HB2 ) 4.0 2.2 1.0 assign (resid 16 and name HA )(resid 16 and name HB1 ) 3.0 1.2 0.5 assign (resid 16 and name HA )(resid 16 and name HB2 ) 3.0 1.2 0.5 assign (resid 16 and name HA )(resid 16 and name HD# ) 3.0 3.2 3.0 assign (resid 16 and name HA )(resid 16 and name HE# ) 4.0 4.2 4.0 assign (resid 16 and name HB1 )(resid 16 and name HD# ) 2.5 2.7 2.2 assign (resid 16 and name HB1 )(resid 16 and name HE# ) 4.0 4.2 3.0 assign (resid 16 and name HB2 )(resid 16 and name HD# ) 2.5 2.7 2.2 assign (resid 16 and name HB2 )(resid 16 and name HE# ) 4.0 4.2 3.0 assign (resid 16 and name HN )(resid 17 and name HN ) 3.0 1.2 0.5 assign (resid 16 and name HA )(resid 17 and name HN ) 4.0 2.2 1.0 assign (resid 16 and name HA )(resid 43 and name HD# ) 3.0 3.2 2.3 assign (resid 16 and name HA )(resid 43 and name HE# ) 4.0 4.2 3.0 !!Lys-17 assign (resid 17 and name HN )(resid 17 and name HA ) 4.0 2.2 1.0 assign (resid 17 and name HN )(resid 17 and name HB# ) 3.0 2.2 1.5 assign (resid 17 and name HA )(resid 17 and name HB# ) 3.0 2.2 1.5 assign (resid 17 and name HN )(resid 18 and name HN ) 4.0 2.2 1.0 assign (resid 17 and name HA )(resid 18 and name HN ) 2.5 0.7 0.2 assign (resid 17 and name HB# )(resid 18 and name HN ) 3.0 2.2 1.5 !!Leu-18 assign (resid 18 and name HN )(resid 18 and name HA ) 4.0 2.2 1.0 assign (resid 18 and name HN )(resid 18 and name HB1 ) 4.0 2.2 1.0 assign (resid 18 and name HN )(resid 18 and name HB2 ) 3.0 1.2 0.5 assign (resid 18 and name HN )(resid 18 and name HG ) 3.0 1.2 0.5 assign (resid 18 and name HN )(resid 18 and name HD1#) 3.0 2.1 1.4 assign (resid 18 and name HN )(resid 18 and name HD2#) 3.0 2.1 1.4 assign (resid 18 and name HA )(resid 18 and name HD1#) 4.0 4.2 3.0 assign (resid 18 and name HA )(resid 18 and name HD2#) 2.5 2.7 2.2 assign (resid 18 and name HA )(resid 19 and name HN ) 2.5 0.7 0.2 assign (resid 18 and name HN )(resid 19 and name HN ) 4.0 2.2 1.0 assign (resid 18 and name HB1 )(resid 19 and name HN ) 4.0 2.2 1.0 assign (resid 18 and name HB2 )(resid 19 and name HN ) 4.0 2.2 1.0 assign (resid 18 and name HG )(resid 19 and name HN ) 4.0 2.2 1.0 assign (resid 18 and name HD1#)(resid 19 and name HN ) 4.0 3.3 2.1 assign (resid 18 and name HD2#)(resid 19 and name HN ) 3.0 2.1 1.4 assign (resid 18 and name HA )(resid 40 and name HN ) 4.0 2.2 1.0 assign (resid 18 and name HA )(resid 40 and name HB1 ) 4.0 2.2 1.0 assign (resid 18 and name HA )(resid 40 and name HB2 ) 4.0 2.2 1.0 assign (resid 18 and name HD1#)(resid 41 and name HA ) 4.0 3.3 2.1 assign (resid 18 and name HD2#)(resid 41 and name HA ) 4.0 3.3 2.1 assign (resid 18 and name HD1#)(resid 42 and name HA# ) 4.0 3.2 2.1 assign (resid 18 and name HD2#)(resid 42 and name HA# ) 4.0 3.2 2.1 assign (resid 18 and name HD1#)(resid 42 and name HN ) 4.0 3.3 2.1 assign (resid 18 and name HD2#)(resid 42 and name HN ) 3.0 2.1 1.4 assign (resid 18 and name HD2#)(resid 43 and name HN ) 3.0 2.1 1.4 assign (resid 18 and name HB1 )(resid 43 and name HD# ) 4.0 4.2 3.0 assign (resid 18 and name HB1 )(resid 43 and name HE# ) 4.0 4.2 3.0 assign (resid 18 and name HB2 )(resid 43 and name HD# ) 4.0 4.2 3.0 assign (resid 18 and name HB2 )(resid 43 and name HE# ) 4.0 4.2 3.0 assign (resid 18 and name HG )(resid 43 and name HD# ) 4.0 4.2 3.0 assign (resid 18 and name HG )(resid 43 and name HE# ) 4.0 4.2 3.0 assign (resid 18 and name HD1#)(resid 43 and name HD# ) 4.0 5.3 4.1 assign (resid 18 and name HD1#)(resid 43 and name HE# ) 2.5 2.7 2.2 assign (resid 18 and name HD2#)(resid 43 and name HD# ) 3.0 4.1 3.4 assign (resid 18 and name HD2#)(resid 43 and name HE# ) 3.0 4.1 3.4 assign (resid 18 and name HD2#)(resid 44 and name HN ) 3.0 2.1 1.4 !!Gly-19 assign (resid 19 and name HN )(resid 19 and name HA1 ) 3.0 1.2 0.5 assign (resid 19 and name HN )(resid 19 and name HA2 ) 3.0 1.2 0.5 assign (resid 19 and name HA1 )(resid 20 and name HN ) 2.5 0.7 0.2 assign (resid 19 and name HA2 )(resid 20 and name HN ) 2.5 0.7 0.2 assign (resid 19 and name HN )(resid 20 and name HN ) 4.0 2.2 1.0 assign (resid 19 and name HA1 )(resid 21 and name HN ) 4.0 2.2 1.0 assign (resid 19 and name HA2 )(resid 21 and name HN ) 4.0 2.2 1.0 assign (resid 19 and name HA1 )(resid 39 and name HD# ) 4.0 4.2 3.0 assign (resid 19 and name HA2 )(resid 39 and name HD# ) 4.0 4.2 3.0 assign (resid 19 and name HN )(resid 40 and name HN ) 4.0 2.2 1.0 assign (resid 19 and name HA# )(resid 40 and name HN ) 4.0 3.2 2.0 assign (resid 19 and name HN )(resid 40 and name HB1 ) 4.0 2.2 1.0 assign (resid 19 and name HN )(resid 40 and name HB2 ) 4.0 2.2 1.0 !!Glu-20 assign (resid 20 and name HN )(resid 20 and name HA ) 4.0 2.2 1.0 assign (resid 20 and name HN )(resid 21 and name HN ) 4.0 2.2 1.0 assign (resid 20 and name HA )(resid 21 and name HN ) 3.0 1.2 0.5 assign (resid 20 and name HB# )(resid 21 and name HN ) 4.0 3.2 2.0 assign (resid 20 and name HG# )(resid 21 and name HN ) 4.0 3.2 2.0 assign (resid 20 and name HA )(resid 22 and name HN ) 4.0 2.2 1.0 assign (resid 20 and name HA )(resid 39 and name HA ) 4.0 2.2 1.0 assign (resid 20 and name HA )(resid 39 and name HB# ) 3.0 2.2 1.5 assign (resid 20 and name HA )(resid 39 and name HD# ) 4.0 4.2 3.0 !!Asn-21 assign (resid 21 and name HN )(resid 21 and name HA ) 4.0 2.2 1.0 assign (resid 21 and name HN )(resid 21 and name HB1 ) 4.0 2.2 1.0 assign (resid 21 and name HN )(resid 21 and name HB2 ) 4.0 2.2 1.0 assign (resid 21 and name HA )(resid 21 and name HB1 ) 4.0 2.2 1.0 assign (resid 21 and name HA )(resid 21 and name HB2 ) 4.0 2.2 1.0 assign (resid 21 and name HN )(resid 22 and name HN ) 4.0 2.2 1.0 assign (resid 21 and name HA )(resid 22 and name HN ) 3.0 1.2 0.5 assign (resid 21 and name HB1 )(resid 22 and name HN ) 4.0 2.2 1.0 assign (resid 21 and name HB2 )(resid 22 and name HN ) 4.0 2.2 1.0 assign (resid 21 and name HA )(resid 23 and name HN ) 4.0 2.2 1.0 assign (resid 21 and name HN )(resid 39 and name HA ) 4.0 2.2 1.0 assign (resid 21 and name HA )(resid 40 and name HN ) 4.0 2.2 1.0 assign (resid 21 and name HB1 )(resid 40 and name HB1 ) 4.0 2.2 1.0 assign (resid 21 and name HB1 )(resid 40 and name HB2 ) 4.0 2.2 1.0 assign (resid 21 and name HB2 )(resid 40 and name HB1 ) 4.0 2.2 1.0 assign (resid 21 and name HB2 )(resid 40 and name HB2 ) 4.0 2.2 1.0 !!ASP-22 assign (resid 22 and name HN )(resid 22 and name HA ) 4.0 2.2 1.0 assign (resid 22 and name HN )(resid 22 and name HB1 ) 3.0 1.2 0.5 assign (resid 22 and name HN )(resid 22 and name HB2 ) 3.0 1.2 0.5 assign (resid 22 and name HA )(resid 22 and name HB1 ) 4.0 2.2 1.0 assign (resid 22 and name HA )(resid 22 and name HB2 ) 3.0 1.2 0.5 assign (resid 22 and name HN )(resid 23 and name HN ) 4.0 2.2 1.0 assign (resid 22 and name HA )(resid 23 and name HN ) 4.0 2.2 1.0 assign (resid 22 and name HB1 )(resid 23 and name HN ) 4.0 2.2 1.0 assign (resid 22 and name HB2 )(resid 23 and name HN ) 4.0 2.2 1.0 assign (resid 22 and name HA )(resid 24 and name HN ) 4.0 2.2 1.0 assign (resid 22 and name HN )(resid 24 and name HN ) 4.0 2.2 1.0 assign (resid 22 and name HA )(resid 25 and name HN ) 3.0 1.2 0.5 assign (resid 22 and name HA )(resid 25 and name HD22) 4.0 2.2 1.0 assign (resid 22 and name HA )(resid 25 and name HD21) 4.0 2.2 1.0 assign (resid 22 and name HA )(resid 26 and name HN ) 4.0 2.2 1.0 !!PHE-23 assign (resid 23 and name HN )(resid 23 and name HA ) 3.0 1.2 0.5 assign (resid 23 and name HN )(resid 23 and name HB1 ) 3.0 1.2 0.5 assign (resid 23 and name HN )(resid 23 and name HB2 ) 3.0 1.2 0.5 assign (resid 23 and name HN )(resid 23 and name HD# ) 4.0 3.2 3.0 assign (resid 23 and name HA )(resid 23 and name HB1 ) 3.0 1.2 0.5 assign (resid 23 and name HA )(resid 23 and name HB2 ) 3.0 1.2 0.5 assign (resid 23 and name HA )(resid 23 and name HD# ) 2.5 2.7 2.2 assign (resid 23 and name HB1 )(resid 23 and name HD# ) 2.5 2.7 2.2 assign (resid 23 and name HB2 )(resid 23 and name HD# ) 2.5 2.7 2.2 assign (resid 23 and name HN )(resid 24 and name HN ) 2.5 0.7 2.2 assign (resid 23 and name HA )(resid 24 and name HN ) 4.0 2.2 1.0 assign (resid 23 and name HB1 )(resid 24 and name HN ) 3.0 1.2 0.5 assign (resid 23 and name HB2 )(resid 24 and name HN ) 3.0 1.2 0.5 assign (resid 23 and name HD# )(resid 24 and name HN ) 3.0 3.2 2.5 assign (resid 23 and name HN )(resid 25 and name HN ) 4.0 2.2 1.0 assign (resid 23 and name HA )(resid 26 and name HN ) 4.0 2.2 1.0 assign (resid 23 and name HA )(resid 26 and name HB1 ) 4.0 2.2 1.0 assign (resid 23 and name HA )(resid 26 and name HB2 ) 4.0 2.2 1.0 assign (resid 23 and name HA )(resid 27 and name HN ) 4.0 2.2 1.0 !!CYS-24 assign (resid 24 and name HN )(resid 24 and name HA ) 3.0 1.2 0.5 assign (resid 24 and name HN )(resid 24 and name HB1 ) 3.0 1.2 0.5 assign (resid 24 and name HN )(resid 24 and name HB2 ) 3.0 1.2 0.5 assign (resid 24 and name HA )(resid 24 and name HB1 ) 4.0 2.2 1.0 assign (resid 24 and name HA )(resid 24 and name HB2 ) 4.0 2.2 1.0 assign (resid 24 and name HN )(resid 25 and name HN ) 4.0 2.2 1.0 assign (resid 24 and name HA )(resid 25 and name HN ) 4.0 2.2 1.0 assign (resid 24 and name HB2 )(resid 25 and name HN ) 4.0 2.2 1.0 assign (resid 24 and name HB1 )(resid 25 and name HN ) 4.0 2.2 1.0 assign (resid 24 and name HA )(resid 27 and name HN ) 3.0 1.2 0.5 assign (resid 24 and name HA )(resid 27 and name HB1 ) 4.0 2.2 1.0 assign (resid 24 and name HA )(resid 27 and name HB2 ) 4.0 2.2 1.0 assign (resid 24 and name HB# )(resid 39 and name HA ) 4.0 3.2 2.0 assign (resid 24 and name CB )(resid 45 and name SG ) 3.0 0.1 0.1 assign (resid 24 and name SG )(resid 45 and name SG ) 2.0 0.1 0.1 assign (resid 24 and name SG )(resid 45 and name CB ) 3.0 0.1 0.1 !!ASN-25 assign (resid 25 and name HN )(resid 25 and name HA ) 3.0 1.2 0.5 assign (resid 25 and name HN )(resid 25 and name HB# ) 4.0 3.2 2.0 assign (resid 25 and name HA )(resid 25 and name HB# ) 4.0 3.2 2.0 assign (resid 25 and name HN )(resid 26 and name HN ) 3.0 1.2 0.5 assign (resid 25 and name HA )(resid 26 and name HN ) 4.0 2.2 1.0 assign (resid 25 and name HB# )(resid 26 and name HN ) 3.0 1.2 0.5 assign (resid 25 and name HN )(resid 27 and name HN ) 4.0 2.2 1.0 assign (resid 25 and name HA )(resid 28 and name HN ) 4.0 2.2 1.0 assign (resid 25 and name HA )(resid 28 and name HB# ) 4.0 3.2 2.0 assign (resid 25 and name HA )(resid 38 and name HA1 ) 4.0 2.2 1.0 assign (resid 25 and name HA )(resid 38 and name HA2 ) 4.0 2.2 1.0 !!ARG-26 assign (resid 26 and name HN )(resid 26 and name HA ) 3.0 1.2 0.5 assign (resid 26 and name HN )(resid 26 and name HB1 ) 3.0 1.2 0.5 assign (resid 26 and name HN )(resid 26 and name HB2 ) 3.0 1.2 0.5 assign (resid 26 and name HN )(resid 26 and name HG1 ) 4.0 2.2 1.0 assign (resid 26 and name HN )(resid 26 and name HG2 ) 4.0 2.2 1.0 assign (resid 26 and name HA )(resid 26 and name HB1 ) 4.0 2.2 1.0 assign (resid 26 and name HA )(resid 26 and name HB2 ) 4.0 2.2 1.0 assign (resid 26 and name HA )(resid 26 and name HG1 ) 4.0 2.2 1.0 assign (resid 26 and name HA )(resid 26 and name HG2 ) 4.0 2.2 1.0 assign (resid 26 and name HN )(resid 27 and name HN ) 4.0 2.2 1.0 assign (resid 26 and name HA )(resid 27 and name HN ) 4.0 2.2 1.0 assign (resid 26 and name HB1 )(resid 27 and name HN ) 4.0 2.2 1.0 assign (resid 26 and name HB2 )(resid 27 and name HN ) 4.0 2.2 1.0 assign (resid 26 and name HG1 )(resid 27 and name HN ) 4.0 2.2 1.0 assign (resid 26 and name HG2 )(resid 27 and name HN ) 4.0 2.2 1.0 assign (resid 26 and name HN )(resid 28 and name HN ) 4.0 2.2 1.0 assign (resid 26 and name HA )(resid 29 and name HN ) 4.0 2.2 1.0 assign (resid 26 and name HA )(resid 29 and name HB# ) 4.0 3.2 2.0 !!GLU-27 assign (resid 27 and name HN )(resid 27 and name HA ) 3.0 1.2 0.5 assign (resid 27 and name HN )(resid 27 and name HB1 ) 3.0 1.2 0.5 assign (resid 27 and name HN )(resid 27 and name HB2 ) 3.0 1.2 0.5 assign (resid 27 and name HN )(resid 27 and name HG1 ) 4.0 2.2 1.0 assign (resid 27 and name HN )(resid 27 and name HG2 ) 4.0 2.2 1.0 assign (resid 27 and name HA )(resid 27 and name HB1 ) 4.0 2.2 1.0 assign (resid 27 and name HA )(resid 27 and name HB2 ) 4.0 2.2 1.0 assign (resid 27 and name HN )(resid 28 and name HN ) 3.0 1.2 0.5 assign (resid 27 and name HA )(resid 28 and name HN ) 4.0 2.2 1.0 assign (resid 27 and name HB1 )(resid 28 and name HN ) 4.0 2.2 1.0 assign (resid 27 and name HB2 )(resid 28 and name HN ) 4.0 2.2 1.0 assign (resid 27 and name HN )(resid 29 and name HN ) 4.0 2.2 1.0 assign (resid 27 and name HA )(resid 30 and name HE1 ) 4.0 2.2 1.0 assign (resid 27 and name HB# )(resid 30 and name HE1 ) 4.0 3.2 2.0 !!CYS-28 assign (resid 28 and name CB )(resid 47 and name SG ) 3.0 0.1 0.1 assign (resid 28 and name SG )(resid 47 and name SG ) 2.0 0.1 0.1 assign (resid 28 and name SG )(resid 47 and name CB ) 3.0 0.1 0.1 assign (resid 28 and name HN )(resid 28 and name HA ) 3.0 1.2 0.5 assign (resid 28 and name HN )(resid 28 and name HB1 ) 4.0 2.2 1.0 assign (resid 28 and name HN )(resid 28 and name HB2 ) 4.0 2.2 1.0 assign (resid 28 and name HA )(resid 28 and name HB1 ) 3.0 1.2 0.5 assign (resid 28 and name HA )(resid 28 and name HB2 ) 3.0 1.2 0.5 assign (resid 28 and name HN )(resid 29 and name HN ) 3.0 1.2 0.5 assign (resid 28 and name HA )(resid 29 and name HN ) 4.0 2.2 1.0 assign (resid 28 and name HB1 )(resid 29 and name HN ) 4.0 2.2 1.0 assign (resid 28 and name HB2 )(resid 29 and name HN ) 4.0 2.2 1.0 !!LYS-29 assign (resid 29 and name HN )(resid 29 and name HA ) 3.0 1.2 0.5 assign (resid 29 and name HN )(resid 29 and name HB1 ) 4.0 2.2 1.0 assign (resid 29 and name HN )(resid 29 and name HB2 ) 4.0 2.2 1.0 assign (resid 29 and name HN )(resid 29 and name HG# ) 4.0 3.2 2.0 assign (resid 29 and name HN )(resid 29 and name HD# ) 4.0 3.2 2.0 assign (resid 29 and name HN )(resid 30 and name HN ) 3.0 1.2 0.5 assign (resid 29 and name HA )(resid 30 and name HN ) 4.0 2.2 1.0 assign (resid 29 and name HB1 )(resid 30 and name HN ) 4.0 2.2 1.0 assign (resid 29 and name HB2 )(resid 30 and name HN ) 4.0 2.2 1.0 !!TRP-30 assign (resid 30 and name HN )(resid 30 and name HA ) 3.0 1.2 0.5 assign (resid 30 and name HN )(resid 30 and name HB1 ) 4.0 2.2 1.0 assign (resid 30 and name HN )(resid 30 and name HB2 ) 4.0 2.2 1.0 assign (resid 30 and name HA )(resid 30 and name HD1 ) 4.0 2.2 1.0 assign (resid 30 and name HA )(resid 30 and name HE3 ) 3.0 1.2 0.5 assign (resid 30 and name HB1 )(resid 30 and name HD1 ) 3.0 1.2 0.5 assign (resid 30 and name HB2 )(resid 30 and name HD1 ) 3.0 1.2 0.5 assign (resid 30 and name HN )(resid 31 and name HN ) 4.0 2.2 1.0 assign (resid 30 and name HA )(resid 31 and name HN ) 4.0 2.2 1.0 !!LYS-31 assign (resid 31 and name HN )(resid 31 and name HA ) 4.0 2.2 1.0 assign (resid 31 and name HN )(resid 31 and name HB1 ) 4.0 2.2 1.0 assign (resid 31 and name HN )(resid 31 and name HB2 ) 4.0 2.2 1.0 assign (resid 31 and name HN )(resid 31 and name HB# ) 3.0 2.2 1.5 assign (resid 31 and name HN )(resid 31 and name HG# ) 3.0 2.2 1.5 !!H32 assign (resid 32 and name HA )(resid 32 and name HB1 ) 3.0 1.2 0.5 assign (resid 32 and name HA )(resid 32 and name HB2 ) 3.0 1.2 0.5 assign (resid 32 and name HA )(resid 32 and name HE1 ) 2.5 0.7 0.2 assign (resid 32 and name HA )(resid 32 and name HD2 ) 4.0 2.2 1.0 assign (resid 32 and name HB1 )(resid 32 and name HD2 ) 3.0 1.2 0.5 assign (resid 32 and name HB2 )(resid 32 and name HD2 ) 3.0 1.2 0.5 !!Ile33 assign (resid 33 and name HN )(resid 33 and name HA ) 3.0 1.2 0.5 assign (resid 33 and name HN )(resid 33 and name HB ) 3.0 1.2 0.5 assign (resid 33 and name HN )(resid 33 and name HG1#) 4.0 3.3 2.1 assign (resid 33 and name HN )(resid 33 and name HD1#) 4.0 3.3 2.1 assign (resid 33 and name HN )(resid 33 and name HG2#) 4.0 3.3 2.1 assign (resid 33 and name HA )(resid 33 and name HB ) 4.0 2.2 1.0 assign (resid 33 and name HA )(resid 33 and name HG2#) 3.0 2.1 1.4 assign (resid 33 and name HA )(resid 33 and name HD1#) 3.0 2.1 1.4 assign (resid 33 and name HN )(resid 34 and name HN ) 2.5 0.7 0.2 assign (resid 33 and name HA )(resid 34 and name HN ) 4.0 2.2 1.0 assign (resid 33 and name HB )(resid 34 and name HN ) 3.0 1.2 0.5 assign (resid 33 and name HG2#)(resid 34 and name HN ) 4.0 3.3 2.1 assign (resid 33 and name HD1#)(resid 34 and name HN ) 4.0 3.3 2.1 assign (resid 33 and name HN )(resid 35 and name HN ) 4.0 2.2 1.0 assign (resid 33 and name HA )(resid 54 and name HG2#) 4.0 3.3 2.1 !!Gly34 assign (resid 34 and name HN )(resid 34 and name HA1 ) 3.0 1.2 0.5 assign (resid 34 and name HN )(resid 34 and name HA2 ) 3.0 1.2 0.5 assign (resid 34 and name HN )(resid 35 and name HN ) 3.0 1.2 0.5 assign (resid 34 and name HA1 )(resid 35 and name HN ) 3.0 1.2 0.5 assign (resid 34 and name HA2 )(resid 35 and name HN ) 3.0 1.2 0.5 assign (resid 34 and name HA# )(resid 51 and name HG1 ) 4.0 3.2 2.0 assign (resid 34 and name HA# )(resid 51 and name HG2 ) 4.0 3.2 2.0 assign (resid 34 and name HA# )(resid 51 and name HD# ) 4.0 4.2 3.0 !!Gly35 assign (resid 35 and name HN )(resid 35 and name HA1 ) 3.0 1.2 0.5 assign (resid 35 and name HN )(resid 35 and name HA2 ) 3.0 1.2 0.5 assign (resid 35 and name HN )(resid 36 and name HN ) 4.0 2.2 1.0 assign (resid 35 and name HA1 )(resid 36 and name HN ) 3.0 1.2 0.5 assign (resid 35 and name HA2 )(resid 36 and name HN ) 3.0 1.2 0.5 assign (resid 35 and name HA# )(resid 37 and name HN ) 4.0 3.2 2.0 !!Ser36 assign (resid 36 and name HN )(resid 36 and name HA ) 3.0 1.2 0.5 assign (resid 36 and name HN )(resid 36 and name HB1 ) 3.0 1.2 0.5 assign (resid 36 and name HN )(resid 36 and name HB2 ) 3.0 1.2 0.5 assign (resid 36 and name HA )(resid 36 and name HB1 ) 3.0 1.2 0.5 assign (resid 36 and name HA )(resid 36 and name HB2 ) 3.0 1.2 0.5 assign (resid 36 and name HN )(resid 37 and name HN ) 4.0 2.2 1.0 assign (resid 36 and name HA )(resid 37 and name HN ) 4.0 2.2 1.0 assign (resid 36 and name HB1 )(resid 37 and name HN ) 4.0 2.2 1.0 assign (resid 36 and name HB2 )(resid 37 and name HN ) 4.0 2.2 1.0 assign (resid 36 and name HN )(resid 49 and name HA1 ) 4.0 2.2 1.0 assign (resid 36 and name HN )(resid 49 and name HA2 ) 4.0 2.2 1.0 !!Tyr37 assign (resid 37 and name HN )(resid 37 and name HA ) 3.0 1.2 0.5 assign (resid 37 and name HN )(resid 37 and name HB1 ) 3.0 1.2 0.5 assign (resid 37 and name HN )(resid 37 and name HB2 ) 3.0 1.2 0.5 assign (resid 37 and name HA )(resid 37 and name HB1 ) 4.0 2.2 1.0 assign (resid 37 and name HA )(resid 37 and name HB2 ) 3.0 1.2 0.5 assign (resid 37 and name HA )(resid 37 and name HD# ) 2.5 2.7 0.2 assign (resid 37 and name HB1 )(resid 37 and name HD# ) 2.5 2.7 0.2 assign (resid 37 and name HB2 )(resid 37 and name HD# ) 2.5 2.7 0.2 assign (resid 37 and name HB1 )(resid 37 and name HE# ) 4.0 4.2 3.0 assign (resid 37 and name HB2 )(resid 37 and name HE# ) 4.0 4.2 3.0 assign (resid 37 and name HN )(resid 38 and name HN ) 4.0 2.2 1.0 assign (resid 37 and name HA )(resid 38 and name HN ) 4.0 2.2 1.0 assign (resid 37 and name HB1 )(resid 38 and name HN ) 4.0 2.2 1.0 assign (resid 37 and name HB2 )(resid 38 and name HN ) 4.0 2.2 1.0 assign (resid 37 and name HN )(resid 47 and name HA ) 4.0 2.2 1.0 assign (resid 37 and name HD# )(resid 39 and name HE# ) 4.0 6.2 5.0 assign (resid 37 and name HN )(resid 48 and name HN ) 3.0 1.2 0.5 assign (resid 37 and name HD# )(resid 48 and name HB# ) 4.0 5.2 4.0 assign (resid 37 and name HD# )(resid 48 and name HG# ) 4.0 5.2 4.0 !!Gly38 assign (resid 38 and name HN )(resid 38 and name HA1 ) 3.0 1.2 0.5 assign (resid 38 and name HN )(resid 38 and name HA2 ) 3.0 1.2 0.5 assign (resid 38 and name HA1 )(resid 47 and name HA ) 3.0 1.2 0.5 assign (resid 38 and name HA2 )(resid 47 and name HA ) 3.0 1.2 0.5 !!Tyr39 assign (resid 39 and name HA )(resid 39 and name HB1 ) 3.0 1.2 0.5 assign (resid 39 and name HA )(resid 39 and name HB2 ) 3.0 1.2 0.5 assign (resid 39 and name HA )(resid 39 and name HD# ) 4.0 4.2 3.0 assign (resid 39 and name HB1 )(resid 39 and name HD# ) 3.0 3.2 2.5 assign (resid 39 and name HB2 )(resid 39 and name HD# ) 3.0 3.2 2.5 assign (resid 39 and name HA )(resid 40 and name HN ) 3.0 1.2 0.5 assign (resid 39 and name HD# )(resid 41 and name HA ) 4.0 4.2 3.0 assign (resid 39 and name HE# )(resid 41 and name HA ) 4.0 4.2 3.0 assign (resid 39 and name HD# )(resid 46 and name HD1 ) 4.0 4.2 3.0 !!Cys40 assign (resid 40 and name HN )(resid 40 and name HA ) 4.0 2.2 1.0 assign (resid 40 and name HN )(resid 40 and name HB1 ) 3.0 1.2 0.5 assign (resid 40 and name HN )(resid 40 and name HB2 ) 3.0 1.2 0.5 assign (resid 40 and name HA )(resid 40 and name HB1 ) 4.0 2.2 1.0 assign (resid 40 and name HA )(resid 40 and name HB2 ) 3.0 1.2 0.5 assign (resid 40 and name HN )(resid 41 and name HN ) 4.0 2.2 1.0 assign (resid 40 and name HA )(resid 41 and name HN ) 3.0 1.2 0.5 assign (resid 40 and name HB1 )(resid 41 and name HN ) 4.0 2.2 1.0 assign (resid 40 and name HB2 )(resid 41 and name HN ) 4.0 2.2 1.0 assign (resid 40 and name HA )(resid 44 and name HN ) 4.0 2.2 1.0 assign (resid 40 and name HA )(resid 46 and name HN ) 4.0 2.2 1.0 !!Tyr41 assign (resid 41 and name HN )(resid 41 and name HA ) 4.0 2.2 1.0 assign (resid 41 and name HN )(resid 41 and name HB1 ) 3.0 1.2 0.5 assign (resid 41 and name HN )(resid 41 and name HB2 ) 3.0 1.2 0.5 assign (resid 41 and name HN )(resid 41 and name HD# ) 4.0 3.2 3.0 assign (resid 41 and name HA )(resid 41 and name HB1 ) 4.0 2.2 1.0 assign (resid 41 and name HA )(resid 41 and name HB2 ) 4.0 2.2 1.0 assign (resid 41 and name HA )(resid 41 and name HD# ) 3.0 3.2 2.5 assign (resid 41 and name HB1 )(resid 41 and name HD# ) 4.0 4.2 3.0 assign (resid 41 and name HB2 )(resid 41 and name HD# ) 4.0 4.2 3.0 assign (resid 41 and name HB1 )(resid 41 and name HE# ) 4.0 4.2 3.0 assign (resid 41 and name HB2 )(resid 41 and name HE# ) 4.0 4.2 3.0 assign (resid 41 and name HA )(resid 42 and name HN ) 2.5 0.7 0.2 assign (resid 41 and name HB1 )(resid 42 and name HN ) 4.0 2.2 1.0 assign (resid 41 and name HB2 )(resid 42 and name HN ) 4.0 2.2 1.0 assign (resid 41 and name HN )(resid 43 and name HN ) 4.0 2.2 1.0 assign (resid 41 and name HN )(resid 44 and name HN ) 3.0 1.2 0.5 assign (resid 41 and name HA )(resid 44 and name HN ) 4.0 2.2 1.0 assign (resid 41 and name HN )(resid 45 and name HA ) 4.0 2.2 1.0 assign (resid 41 and name HN )(resid 46 and name HN ) 4.0 2.2 1.0 assign (resid 41 and name HN )(resid 46 and name HB1 ) 4.0 2.2 1.0 assign (resid 41 and name HN )(resid 46 and name HB2 ) 4.0 2.2 1.0 assign (resid 41 and name HB1 )(resid 46 and name HB1 ) 4.0 2.2 1.0 assign (resid 41 and name HB1 )(resid 46 and name HB2 ) 4.0 2.2 1.0 assign (resid 41 and name HB2 )(resid 46 and name HB1 ) 4.0 2.2 1.0 assign (resid 41 and name HB2 )(resid 46 and name HB2 ) 4.0 2.2 1.0 assign (resid 41 and name HB1 )(resid 46 and name HD# ) 4.0 4.2 3.0 assign (resid 41 and name HB1 )(resid 46 and name HE# ) 4.0 4.2 3.0 assign (resid 41 and name HB2 )(resid 46 and name HD# ) 4.0 4.2 3.0 assign (resid 41 and name HB2 )(resid 46 and name HE# ) 4.0 4.2 3.0 assign (resid 41 and name HD# )(resid 46 and name HD# ) 4.0 6.2 5.0 !!Gly42 assign (resid 42 and name HA# )(resid 42 and name HN ) 3.0 2.2 1.5 assign (resid 42 and name HA# )(resid 43 and name HN ) 4.0 3.2 2.0 assign (resid 42 and name HN )(resid 43 and name HN ) 4.0 2.2 1.0 !!Phe43 assign (resid 43 and name HN )(resid 43 and name HA ) 3.0 1.2 0.5 assign (resid 43 and name HN )(resid 43 and name HB1 ) 4.0 2.2 1.0 assign (resid 43 and name HN )(resid 43 and name HB2 ) 4.0 2.2 1.0 assign (resid 43 and name HA )(resid 43 and name HB1 ) 3.0 1.2 0.5 assign (resid 43 and name HA )(resid 43 and name HB2 ) 4.0 2.2 1.0 assign (resid 43 and name HA )(resid 43 and name HD# ) 3.0 3.2 2.5 assign (resid 43 and name HB1 )(resid 43 and name HD# ) 3.0 3.2 2.5 assign (resid 43 and name HB2 )(resid 43 and name HD# ) 3.0 3.2 2.5 assign (resid 43 and name HA )(resid 44 and name HN ) 3.0 1.2 0.5 assign (resid 43 and name HN )(resid 44 and name HN ) 3.0 1.2 0.5 assign (resid 43 and name HB1 )(resid 44 and name HN ) 4.0 3.2 2.0 assign (resid 43 and name HB2 )(resid 44 and name HN ) 4.0 3.2 2.0 !!Gly44 assign (resid 44 and name HN )(resid 44 and name HA1 ) 3.0 1.2 0.5 assign (resid 44 and name HN )(resid 44 and name HA2 ) 3.0 1.2 0.5 assign (resid 44 and name HA1 )(resid 45 and name HN ) 3.0 1.2 0.5 assign (resid 44 and name HA2 )(resid 45 and name HN ) 2.5 0.7 0.2 assign (resid 44 and name HN )(resid 45 and name HN ) 4.0 2.2 1.0 !!Cys45 assign (resid 45 and name HN )(resid 45 and name HA ) 4.0 2.2 1.0 assign (resid 45 and name HN )(resid 45 and name HB1 ) 3.0 1.2 0.5 assign (resid 45 and name HN )(resid 45 and name HB2 ) 4.0 2.2 1.0 assign (resid 45 and name HA )(resid 45 and name HB1 ) 4.0 2.2 1.0 assign (resid 45 and name HA )(resid 45 and name HB2 ) 4.0 2.2 1.0 assign (resid 45 and name HA )(resid 46 and name HN ) 2.5 0.7 0.2 assign (resid 45 and name HN )(resid 46 and name HN ) 4.0 2.2 1.0 assign (resid 45 and name HB1 )(resid 46 and name HN ) 4.0 2.2 1.0 assign (resid 45 and name HB2 )(resid 46 and name HN ) 4.0 2.2 1.0 !!Tyr46 assign (resid 46 and name HN )(resid 46 and name HA ) 4.0 2.2 1.0 assign (resid 46 and name HN )(resid 46 and name HB1 ) 2.5 0.7 0.2 assign (resid 46 and name HN )(resid 46 and name HB2 ) 3.0 1.2 0.5 assign (resid 46 and name HA )(resid 46 and name HB1 ) 4.0 2.2 1.0 assign (resid 46 and name HA )(resid 46 and name HB2 ) 4.0 2.2 1.0 assign (resid 46 and name HA )(resid 46 and name HD# ) 3.0 3.2 2.5 assign (resid 46 and name HA )(resid 46 and name HE# ) 4.0 4.2 3.0 assign (resid 46 and name HB1 )(resid 46 and name HD# ) 2.5 2.7 2.2 assign (resid 46 and name HB2 )(resid 46 and name HD# ) 2.5 2.7 2.2 assign (resid 46 and name HB1 )(resid 46 and name HE# ) 4.0 4.2 3.0 assign (resid 46 and name HB2 )(resid 46 and name HE# ) 4.0 4.2 3.0 assign (resid 46 and name HN )(resid 47 and name HN ) 4.0 2.2 1.0 assign (resid 46 and name HA )(resid 47 and name HN ) 2.5 0.7 0.2 assign (resid 46 and name HB1 )(resid 47 and name HN ) 4.0 2.2 1.0 assign (resid 46 and name HB2 )(resid 47 and name HN ) 4.0 2.2 1.0 assign (resid 46 and name HD# )(resid 47 and name HN ) 3.0 3.2 2.5 assign (resid 46 and name HE# )(resid 47 and name HN ) 4.0 4.2 3.0 assign (resid 46 and name HD# )(resid 48 and name HG# ) 4.0 5.2 4.0 assign (resid 46 and name HE# )(resid 48 and name HG# ) 2.5 3.7 3.2 !!Cys47 assign (resid 47 and name HN )(resid 47 and name HA ) 4.0 2.2 1.0 assign (resid 47 and name HN )(resid 47 and name HB1 ) 4.0 2.2 1.0 assign (resid 47 and name HN )(resid 47 and name HB2 ) 3.0 1.2 0.5 assign (resid 47 and name HA )(resid 47 and name HB1 ) 3.0 1.2 0.5 assign (resid 47 and name HA )(resid 47 and name HB2 ) 4.0 2.2 1.0 assign (resid 47 and name HA )(resid 48 and name HN ) 3.0 1.2 0.5 assign (resid 47 and name HB1 )(resid 48 and name HN ) 4.0 2.2 1.0 assign (resid 47 and name HN )(resid 50 and name HD1#) 4.0 3.3 2.1 assign (resid 47 and name HN )(resid 50 and name HD2#) 4.0 3.3 2.1 assign (resid 47 and name HA )(resid 50 and name HD1#) 4.0 3.3 2.1 assign (resid 47 and name HA )(resid 50 and name HD2#) 4.0 3.3 2.1 assign (resid 47 and name HB1 )(resid 50 and name HD1#) 4.0 3.3 2.1 assign (resid 47 and name HB1 )(resid 50 and name HD2#) 4.0 3.3 2.1 assign (resid 47 and name HB2 )(resid 50 and name HD1#) 4.0 3.3 2.1 assign (resid 47 and name HB2 )(resid 50 and name HD2#) 4.0 3.3 2.1 !!E48 assign (resid 48 and name HN )(resid 48 and name HA ) 4.0 2.2 1.0 assign (resid 48 and name HN )(resid 48 and name HB# ) 4.0 3.2 2.0 assign (resid 48 and name HN )(resid 48 and name HG# ) 4.0 3.2 2.0 assign (resid 48 and name HA )(resid 48 and name HB1 ) 4.0 2.2 1.0 assign (resid 48 and name HA )(resid 48 and name HB2 ) 4.0 2.2 1.0 assign (resid 48 and name HA )(resid 48 and name HG# ) 3.0 2.2 1.5 assign (resid 48 and name HA )(resid 49 and name HN ) 2.5 0.7 0.2 assign (resid 48 and name HB1 )(resid 49 and name HN ) 4.0 2.2 1.0 assign (resid 48 and name HB2 )(resid 49 and name HN ) 4.0 2.2 1.0 assign (resid 48 and name HG# )(resid 49 and name HN ) 4.0 3.2 2.0 !!Gly49 assign (resid 49 and name HN )(resid 49 and name HA1 ) 3.0 1.2 0.5 assign (resid 49 and name HN )(resid 49 and name HA2 ) 3.0 1.2 0.5 assign (resid 49 and name HN )(resid 50 and name HN ) 3.0 1.2 0.5 assign (resid 49 and name HA1 )(resid 50 and name HN ) 3.0 1.2 0.5 assign (resid 49 and name HA2 )(resid 50 and name HN ) 3.0 1.2 0.5 !!Leu50 assign (resid 50 and name HN )(resid 50 and name HA ) 4.0 2.2 1.0 assign (resid 50 and name HN )(resid 50 and name HB1 ) 4.0 2.2 1.0 assign (resid 50 and name HN )(resid 50 and name HB2 ) 3.0 1.2 0.5 assign (resid 50 and name HN )(resid 50 and name HG ) 3.0 1.2 0.5 assign (resid 50 and name HN )(resid 50 and name HD1#) 3.0 2.1 1.4 assign (resid 50 and name HN )(resid 50 and name HD2#) 3.0 2.1 1.4 assign (resid 50 and name HA )(resid 50 and name HD1#) 4.0 3.3 2.1 assign (resid 50 and name HA )(resid 50 and name HD2#) 4.0 3.3 2.1 assign (resid 50 and name HA )(resid 50 and name HB1 ) 4.0 2.2 1.0 assign (resid 50 and name HA )(resid 50 and name HB2 ) 4.0 2.2 1.0 assign (resid 50 and name HA )(resid 50 and name HG ) 4.0 2.2 1.0 assign (resid 50 and name HN )(resid 51 and name HD# ) 4.0 3.2 2.0 assign (resid 50 and name HA )(resid 51 and name HD# ) 3.0 2.2 1.5 assign (resid 50 and name HD1#)(resid 54 and name HB ) 4.0 3.3 2.1 assign (resid 50 and name HD2#)(resid 54 and name HB ) 4.0 3.3 2.1 !!Pro51 assign (resid 51 and name HA )(resid 51 and name HB1 ) 3.0 1.2 0.5 assign (resid 51 and name HA )(resid 51 and name HB2 ) 3.0 1.2 0.5 assign (resid 51 and name HB# )(resid 51 and name HG# ) 3.0 3.2 2.5 assign (resid 51 and name HD# )(resid 51 and name HG# ) 3.0 3.2 2.5 assign (resid 51 and name HD# )(resid 51 and name HB# ) 4.0 4.2 3.0 assign (resid 51 and name HA )(resid 52 and name HN ) 2.5 0.7 0.2 assign (resid 51 and name HB1 )(resid 52 and name HN ) 3.0 1.2 0.5 assign (resid 51 and name HB2 )(resid 52 and name HN ) 3.0 1.2 0.5 assign (resid 51 and name HA )(resid 53 and name HN ) 4.0 2.2 1.0 assign (resid 51 and name HB1 )(resid 53 and name HN ) 4.0 3.2 2.0 !!D52 assign (resid 52 and name HN )(resid 52 and name HA ) 3.0 1.2 0.5 assign (resid 52 and name HN )(resid 52 and name HB1 ) 3.0 1.2 0.5 assign (resid 52 and name HN )(resid 52 and name HB2 ) 3.0 1.2 0.5 assign (resid 52 and name HA )(resid 52 and name HB1 ) 3.0 1.2 0.5 assign (resid 52 and name HA )(resid 52 and name HB2 ) 3.0 1.2 0.5 assign (resid 52 and name HA )(resid 53 and name HN ) 4.0 2.2 1.0 assign (resid 52 and name HB1 )(resid 53 and name HN ) 4.0 2.2 1.0 assign (resid 52 and name HB2 )(resid 53 and name HN ) 4.0 2.2 1.0 assign (resid 52 and name HN )(resid 53 and name HN ) 3.0 1.2 0.5 assign (resid 52 and name HA )(resid 54 and name HN ) 4.0 2.2 1.0 !!Ser53 assign (resid 53 and name HN )(resid 53 and name HA ) 3.0 1.2 0.5 assign (resid 53 and name HN )(resid 53 and name HB1 ) 3.0 1.2 0.5 assign (resid 53 and name HN )(resid 53 and name HB2 ) 3.0 1.2 0.5 assign (resid 53 and name HA )(resid 53 and name HB1 ) 3.0 1.2 0.5 assign (resid 53 and name HA )(resid 53 and name HB2 ) 3.0 1.2 0.5 assign (resid 53 and name HN )(resid 54 and name HN ) 3.0 1.2 0.5 assign (resid 53 and name HA )(resid 54 and name HN ) 4.0 2.2 1.0 assign (resid 53 and name HB1 )(resid 54 and name HN ) 4.0 2.2 1.0 assign (resid 53 and name HB2 )(resid 54 and name HN ) 4.0 2.2 1.0 !!Thr54 assign (resid 54 and name HN )(resid 54 and name HA ) 3.0 1.2 0.5 assign (resid 54 and name HN )(resid 54 and name HB ) 3.0 1.2 0.5 assign (resid 54 and name HN )(resid 54 and name HG2#) 3.0 2.1 1.4 assign (resid 54 and name HA )(resid 54 and name HB ) 4.0 2.2 1.0 assign (resid 54 and name HA )(resid 54 and name HG2#) 3.0 2.1 1.4 assign (resid 54 and name HN )(resid 55 and name HN ) 4.0 2.2 1.0 assign (resid 54 and name HA )(resid 55 and name HN ) 3.0 1.2 0.5 assign (resid 54 and name HB )(resid 55 and name HN ) 4.0 2.2 1.0 assign (resid 54 and name HG2#)(resid 55 and name HN ) 2.5 1.4 0.9 !!Q55 assign (resid 55 and name HN )(resid 55 and name HA ) 4.0 2.2 1.0 assign (resid 55 and name HN )(resid 55 and name HB# ) 3.0 2.2 1.5 assign (resid 55 and name HN )(resid 55 and name HG1 ) 4.0 2.2 1.0 assign (resid 55 and name HN )(resid 55 and name HG2 ) 4.0 2.2 1.0 assign (resid 55 and name HA )(resid 55 and name HB# ) 3.0 1.8 0.9 assign (resid 55 and name HA )(resid 55 and name HG1 ) 4.0 2.2 1.0 assign (resid 55 and name HA )(resid 55 and name HG2 ) 4.0 2.2 1.0 assign (resid 55 and name HN )(resid 56 and name HN ) 4.0 2.2 1.0 assign (resid 55 and name HA )(resid 56 and name HN ) 3.0 1.2 0.5 assign (resid 55 and name HB# )(resid 56 and name HN ) 4.0 3.2 2.0 assign (resid 55 and name HG1 )(resid 56 and name HN ) 4.0 2.2 1.0 assign (resid 55 and name HG2 )(resid 56 and name HN ) 4.0 2.2 1.0 assign (resid 55 and name HE21)(resid 56 and name HN ) 4.0 2.2 1.0 assign (resid 55 and name HE22)(resid 56 and name HN ) 4.0 2.2 1.0 assign (resid 55 and name HE21)(resid 59 and name HD# ) 4.0 4.8 3.6 assign (resid 55 and name HE22)(resid 59 and name HD# ) 4.0 4.8 3.6 !!Thr56 assign (resid 56 and name HN )(resid 56 and name HA ) 3.0 1.2 0.5 assign (resid 56 and name HN )(resid 56 and name HB ) 3.0 1.2 0.5 assign (resid 56 and name HN )(resid 56 and name HG2#) 3.0 2.1 1.4 assign (resid 56 and name HG2#)(resid 56 and name HA ) 3.0 2.1 1.4 assign (resid 56 and name HB )(resid 56 and name HA ) 4.0 2.2 1.0 assign (resid 56 and name HN )(resid 57 and name HN ) 4.0 2.2 1.0 assign (resid 56 and name HA )(resid 57 and name HN ) 2.5 0.7 0.2 assign (resid 56 and name HB )(resid 57 and name HN ) 4.0 2.2 1.0 assign (resid 56 and name HG2#)(resid 57 and name HN ) 3.0 2.1 1.4 !!Trp57 assign (resid 57 and name HN )(resid 57 and name HA ) 4.0 2.2 1.0 assign (resid 57 and name HN )(resid 57 and name HB1 ) 2.5 0.7 0.2 assign (resid 57 and name HN )(resid 57 and name HB2 ) 3.0 1.2 0.5 assign (resid 57 and name HA )(resid 57 and name HB1 ) 4.0 2.2 1.0 assign (resid 57 and name HA )(resid 57 and name HB2 ) 4.0 2.2 1.0 assign (resid 57 and name HA )(resid 57 and name HE3 ) 4.0 2.2 1.0 assign (resid 57 and name HA )(resid 57 and name HD1 ) 3.0 1.2 0.5 assign (resid 57 and name HB1 )(resid 57 and name HD1 ) 4.0 2.2 1.0 assign (resid 57 and name HB2 )(resid 57 and name HD1 ) 3.0 1.2 0.5 assign (resid 57 and name HB1 )(resid 57 and name HE3 ) 2.5 0.7 0.2 assign (resid 57 and name HB2 )(resid 57 and name HE3 ) 4.0 2.2 1.0 assign (resid 57 and name HN )(resid 58 and name HA ) 4.0 2.2 1.0 assign (resid 57 and name HA )(resid 58 and name HA ) 2.5 0.7 0.2 assign (resid 57 and name HB1 )(resid 58 and name HA ) 4.0 2.2 1.0 assign (resid 57 and name HB2 )(resid 58 and name HA ) 4.0 2.2 1.0 assign (resid 57 and name HD1 )(resid 58 and name HA ) 3.0 1.2 0.5 assign (resid 57 and name HE1 )(resid 58 and name HA ) 4.0 2.2 1.0 assign (resid 57 and name HA )(resid 59 and name HN ) 3.0 1.2 0.5 assign (resid 57 and name HE1 )(resid 64 and name HB1 ) 4.0 2.2 1.0 assign (resid 57 and name HE1 )(resid 64 and name HB2 ) 4.0 2.2 1.0 assign (resid 57 and name HE1 )(resid 64 and name HN ) 4.0 2.2 1.0 !!Pro58 assign (resid 58 and name HA )(resid 58 and name HB1 ) 3.0 1.2 0.5 assign (resid 58 and name HA )(resid 58 and name HB2 ) 3.0 1.2 0.5 assign (resid 58 and name HB# )(resid 58 and name HG# ) 3.0 3.2 2.5 assign (resid 58 and name HD# )(resid 58 and name HG# ) 3.0 3.2 2.5 assign (resid 58 and name HD# )(resid 58 and name HB# ) 4.0 4.2 3.0 assign (resid 58 and name HA )(resid 59 and name HN ) 2.5 0.7 0.2 assign (resid 58 and name HB1 )(resid 59 and name HN ) 4.0 2.2 1.0 assign (resid 58 and name HB2 )(resid 59 and name HN ) 4.0 2.2 1.0 !!Leu59 assign (resid 59 and name HN )(resid 59 and name HA ) 4.0 2.2 1.0 assign (resid 59 and name HN )(resid 59 and name HB1 ) 3.0 1.2 0.5 assign (resid 59 and name HN )(resid 59 and name HB2 ) 3.0 1.2 0.5 assign (resid 59 and name HN )(resid 59 and name HG ) 4.0 2.2 1.0 assign (resid 59 and name HN )(resid 59 and name HD# ) 3.0 3.6 2.9 assign (resid 59 and name HA )(resid 59 and name HB1 ) 4.0 2.2 1.0 assign (resid 59 and name HA )(resid 59 and name HB2 ) 4.0 2.2 1.0 assign (resid 59 and name HA )(resid 59 and name HG ) 4.0 2.2 1.0 assign (resid 59 and name HA )(resid 59 and name HD1#) 4.0 3.3 2.1 assign (resid 59 and name HA )(resid 59 and name HD2#) 4.0 3.3 2.1 assign (resid 59 and name HA )(resid 60 and name HD1 ) 2.5 0.7 0.2 assign (resid 59 and name HA )(resid 60 and name HD2 ) 2.5 0.7 0.2 assign (resid 59 and name HA )(resid 60 and name HG# ) 4.0 3.2 2.0 assign (resid 59 and name HD# )(resid 60 and name HD1 ) 4.0 4.8 3.6 assign (resid 59 and name HD# )(resid 60 and name HD2 ) 4.0 4.8 3.6 !!Pro60 assign (resid 60 and name HA )(resid 60 and name HB1 ) 3.0 1.2 0.5 assign (resid 60 and name HA )(resid 60 and name HB2 ) 3.0 1.2 0.5 assign (resid 60 and name HB# )(resid 60 and name HG# ) 3.0 3.2 2.5 assign (resid 60 and name HD# )(resid 60 and name HG# ) 3.0 3.2 2.5 assign (resid 60 and name HD# )(resid 60 and name HB# ) 4.0 4.2 3.0 assign (resid 60 and name HA )(resid 61 and name HN ) 2.5 0.7 0.2 assign (resid 60 and name HB1 )(resid 61 and name HN ) 3.0 1.2 0.5 assign (resid 60 and name HB2 )(resid 61 and name HN ) 3.0 1.2 0.5 assign (resid 60 and name HG# )(resid 61 and name HN ) 4.0 3.2 2.0 !!Asn61 assign (resid 61 and name HN )(resid 61 and name HA ) 3.0 1.2 0.5 assign (resid 61 and name HN )(resid 61 and name HB# ) 3.0 2.2 1.5 assign (resid 61 and name HN )(resid 62 and name HN ) 2.5 0.7 0.2 assign (resid 61 and name HB# )(resid 62 and name HN ) 4.0 3.2 2.0 !!Lys62 assign (resid 62 and name HN )(resid 62 and name HA ) 4.0 2.2 1.0 assign (resid 62 and name HN )(resid 62 and name HB# ) 3.0 2.2 1.5 assign (resid 62 and name HN )(resid 62 and name HG# ) 4.0 3.2 2.0 assign (resid 62 and name HA )(resid 62 and name HB# ) 3.0 2.2 1.5 assign (resid 62 and name HA )(resid 62 and name HG# ) 4.0 3.2 2.0 assign (resid 62 and name HA )(resid 63 and name HN ) 2.5 0.7 0.2 assign (resid 62 and name HB# )(resid 63 and name HN ) 4.0 3.0 2.0 assign (resid 62 and name HG# )(resid 63 and name HN ) 4.0 3.0 2.0 assign (resid 62 and name HN )(resid 63 and name HN ) 4.0 2.2 1.0 !!Thr63 assign (resid 63 and name HN )(resid 63 and name HA ) 3.0 1.2 0.5 assign (resid 63 and name HN )(resid 63 and name HB ) 2.5 0.7 0.2 assign (resid 63 and name HN )(resid 63 and name HG2#) 3.0 2.1 1.4 assign (resid 63 and name HA )(resid 63 and name HB ) 3.0 1.2 0.5 assign (resid 63 and name HA )(resid 63 and name HG2#) 3.0 2.1 1.4 assign (resid 63 and name HA )(resid 64 and name HN ) 2.5 0.7 0.2 assign (resid 63 and name HB )(resid 64 and name HN ) 3.0 1.2 0.5 assign (resid 63 and name HG2#)(resid 64 and name HN ) 3.0 2.1 1.4 assign (resid 63 and name HN )(resid 64 and name HN ) 4.0 2.2 1.0 !!Cys64 assign (resid 64 and name HN )(resid 64 and name HA ) 3.0 1.2 0.5 assign (resid 64 and name HN )(resid 64 and name HB1 ) 2.5 0.7 0.2 assign (resid 64 and name HN )(resid 64 and name HB2 ) 2.5 0.7 0.2 assign (resid 64 and name HA )(resid 64 and name HB1 ) 4.0 2.2 1.0 assign (resid 64 and name HA )(resid 64 and name HB2 ) 3.0 1.2 0.5
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